http://wiki.docking.org/index.php?action=history&feed=atom&title=TLDR%3Aextrema 2026-04-11T23:18:41Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=TLDR:extrema&diff=14622&oldid=prev 2022-08-09T05:29:08Z

<p>Khtang moved page <a href="/index.php?title=TLDR:Extrema&amp;action=edit&amp;redlink=1" class="new" title="TLDR:Extrema (page does not exist)">TLDR:Extrema</a> to <a href="/index.php?title=TLDR:extrema" title="TLDR:extrema">TLDR:extrema</a> without leaving a redirect</p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 05:29, 9 August 2022</td> </tr> <!-- diff cache key wikidb:diff::1.12:old-14606:rev-14622 --> </table>

Khtang http://wiki.docking.org/index.php?title=TLDR:extrema&diff=14606&oldid=prev 2022-08-08T05:37:06Z

<p>Created page with &quot;== Purpose == Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These cha...&quot;</p> <p><b>New page</b></p><div>== Purpose ==<br /> Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These charged molecules can be used as a decoy background for docking to identify the charge preference of your docking setup.<br /> == Inputs ==<br /> * molecules.ism<br /> * Number of molecule per charge<br /> == Outputs ==<br /> TBD<br /> == Notes ==<br /> TBD</div>

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